0 mol 9 unq 0 iso 0 dist 8.55446 6.59455 6.04312 4.74921 5.40172 3.91893 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 6.59455 8.55446 6.04312 4.74921 3.91893 5.40172 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.55446 5.71201 10.2644 4.74921 5.40172 4.94281 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 5.71201 8.55446 10.2644 4.74921 4.94281 5.40172 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 6.59455 5.71201 6.17866 4.74921 3.91893 4.94281 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 5.71201 6.59455 6.17866 4.74921 4.94281 3.91893 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.69752 9.36461 10.2653 9.41655 7.02381 14.1137 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 9.36461 9.69752 10.2653 9.41655 14.1137 7.02381 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 9.69752 9.36461 10.2653 6.803 7.18485 13.4584 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 9.36461 9.69752 10.2653 6.803 13.4584 7.18485 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 4.90592 8.16324 9.62033 9.65174 9.63925 12.5427 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 8.16324 4.90592 9.62033 9.65174 12.5427 9.63925 numMergedOcc 0
12 mol 34 unq 0 iso 0 dist 6.15801 9.63403 6.47508 9.31883 9.92713 15.7295 numMergedOcc 0
13 mol 34 unq 0 iso 1 dist 9.63403 6.15801 6.47508 9.31883 15.7295 9.92713 numMergedOcc 0
14 mol 34 unq 1 iso 0 dist 6.15801 9.63403 6.47508 9.475 10.6518 16.8534 numMergedOcc 0
15 mol 34 unq 1 iso 1 dist 9.63403 6.15801 6.47508 9.475 16.8534 10.6518 numMergedOcc 0
16 mol 34 unq 2 iso 0 dist 6.15801 9.63403 6.47508 8.34011 5.94977 12.3865 numMergedOcc 0
17 mol 34 unq 2 iso 1 dist 9.63403 6.15801 6.47508 8.34011 12.3865 5.94977 numMergedOcc 0
18 mol 34 unq 3 iso 0 dist 6.15801 9.63403 6.47508 6.29842 6.35031 5.50427 numMergedOcc 0
19 mol 34 unq 3 iso 1 dist 9.63403 6.15801 6.47508 6.29842 5.50427 6.35031 numMergedOcc 0
20 mol 34 unq 4 iso 0 dist 6.15801 8.07314 9.89387 9.31883 9.92713 16.4972 numMergedOcc 0
21 mol 34 unq 4 iso 1 dist 8.07314 6.15801 9.89387 9.31883 16.4972 9.92713 numMergedOcc 0
22 mol 34 unq 5 iso 0 dist 6.15801 8.07314 9.89387 9.475 10.6518 15.5365 numMergedOcc 0
23 mol 34 unq 5 iso 1 dist 8.07314 6.15801 9.89387 9.475 15.5365 10.6518 numMergedOcc 0
24 mol 34 unq 6 iso 0 dist 6.15801 8.07314 9.89387 8.34011 5.94977 13.3825 numMergedOcc 0
25 mol 34 unq 6 iso 1 dist 8.07314 6.15801 9.89387 8.34011 13.3825 5.94977 numMergedOcc 0
26 mol 34 unq 7 iso 0 dist 6.15801 8.07314 9.89387 6.29842 6.35031 5.12822 numMergedOcc 0
27 mol 34 unq 7 iso 1 dist 8.07314 6.15801 9.89387 6.29842 5.12822 6.35031 numMergedOcc 0
28 mol 34 unq 4 iso 0 dist 9.63403 8.07314 10.4405 9.31883 15.7295 16.4972 numMergedOcc 0
29 mol 34 unq 4 iso 1 dist 8.07314 9.63403 10.4405 9.31883 16.4972 15.7295 numMergedOcc 0
30 mol 34 unq 5 iso 0 dist 9.63403 8.07314 10.4405 9.475 16.8534 15.5365 numMergedOcc 0
31 mol 34 unq 5 iso 1 dist 8.07314 9.63403 10.4405 9.475 15.5365 16.8534 numMergedOcc 0
32 mol 34 unq 6 iso 0 dist 9.63403 8.07314 10.4405 8.34011 12.3865 13.3825 numMergedOcc 0
33 mol 34 unq 6 iso 1 dist 8.07314 9.63403 10.4405 8.34011 13.3825 12.3865 numMergedOcc 0
34 mol 34 unq 7 iso 0 dist 9.63403 8.07314 10.4405 6.29842 5.50427 5.12822 numMergedOcc 0
35 mol 34 unq 7 iso 1 dist 8.07314 9.63403 10.4405 6.29842 5.12822 5.50427 numMergedOcc 0
36 mol 92 unq 0 iso 0 dist 8.57827 7.94453 11.7781 7.87729 4.15826 10.1482 numMergedOcc 0
37 mol 92 unq 0 iso 1 dist 7.94453 8.57827 11.7781 7.87729 10.1482 4.15826 numMergedOcc 0
38 mol 105 unq 0 iso 0 dist 7.71923 9.87821 4.32675 9.09664 5.8332 6.30722 numMergedOcc 0
39 mol 105 unq 0 iso 1 dist 9.87821 7.71923 4.32675 9.09664 6.30722 5.8332 numMergedOcc 0
40 mol 105 unq 1 iso 0 dist 7.71923 7.09806 6.37217 9.09664 5.8332 9.73765 numMergedOcc 0
41 mol 105 unq 1 iso 1 dist 7.09806 7.71923 6.37217 9.09664 9.73765 5.8332 numMergedOcc 0
42 mol 105 unq 1 iso 0 dist 9.87821 7.09806 5.73435 9.09664 6.30722 9.73765 numMergedOcc 0
43 mol 105 unq 1 iso 1 dist 7.09806 9.87821 5.73435 9.09664 9.73765 6.30722 numMergedOcc 0
44 mol 141 unq 0 iso 0 dist 9.78667 6.73983 6.33946 8.88454 3.80087 3.80763 numMergedOcc 0
45 mol 141 unq 0 iso 1 dist 6.73983 9.78667 6.33946 8.88454 3.80763 3.80087 numMergedOcc 0
46 mol 141 unq 1 iso 0 dist 9.78667 7.64956 12.8394 8.88454 3.80087 9.98068 numMergedOcc 0
47 mol 141 unq 1 iso 1 dist 7.64956 9.78667 12.8394 8.88454 9.98068 3.80087 numMergedOcc 0
48 mol 141 unq 2 iso 0 dist 8.47026 8.6387 6.33946 9.48581 3.80087 3.80763 numMergedOcc 0
49 mol 141 unq 2 iso 1 dist 8.6387 8.47026 6.33946 9.48581 3.80763 3.80087 numMergedOcc 0
50 mol 141 unq 1 iso 0 dist 6.73983 7.64956 6.59975 8.88454 3.80763 9.98068 numMergedOcc 0
51 mol 141 unq 1 iso 1 dist 7.64956 6.73983 6.59975 8.88454 9.98068 3.80763 numMergedOcc 0
52 mol 158 unq 0 iso 0 dist 6.76055 9.36343 6.97949 8.06621 9.64397 5.16839 numMergedOcc 0
53 mol 158 unq 0 iso 1 dist 9.36343 6.76055 6.97949 8.06621 5.16839 9.64397 numMergedOcc 0
54 mol 162 unq 0 iso 0 dist 7.14263 8.57005 10.0763 9.56342 6.17752 8.7961 numMergedOcc 0
55 mol 162 unq 0 iso 1 dist 8.57005 7.14263 10.0763 9.56342 8.7961 6.17752 numMergedOcc 0
56 mol 163 unq 0 iso 0 dist 9.79069 9.27496 15.4815 7.69757 6.5925 15.5126 numMergedOcc 0
57 mol 163 unq 0 iso 1 dist 9.27496 9.79069 15.4815 7.69757 15.5126 6.5925 numMergedOcc 0
58 mol 175 unq 0 iso 0 dist 8.05247 9.71028 6.91059 7.6741 10.297 11.8094 numMergedOcc 0
59 mol 175 unq 0 iso 1 dist 9.71028 8.05247 6.91059 7.6741 11.8094 10.297 numMergedOcc 0
60 mol 175 unq 1 iso 0 dist 5.89564 5.60528 6.75531 6.90373 3.6642 6.03236 numMergedOcc 0
61 mol 175 unq 1 iso 1 dist 5.60528 5.89564 6.75531 6.90373 6.03236 3.6642 numMergedOcc 0
62 mol 182 unq 0 iso 0 dist 8.2169 8.52103 5.97071 8.62437 7.36876 3.73864 numMergedOcc 0
63 mol 182 unq 0 iso 1 dist 8.52103 8.2169 5.97071 8.62437 3.73864 7.36876 numMergedOcc 0
64 mol 182 unq 1 iso 0 dist 8.2169 8.52103 5.97071 7.07405 4.17332 3.85553 numMergedOcc 0
65 mol 182 unq 1 iso 1 dist 8.52103 8.2169 5.97071 7.07405 3.85553 4.17332 numMergedOcc 0
66 mol 210 unq 0 iso 0 dist 5.57779 7.05649 7.33239 8.83523 5.88175 9.89707 numMergedOcc 0
67 mol 210 unq 0 iso 1 dist 7.05649 5.57779 7.33239 8.83523 9.89707 5.88175 numMergedOcc 0
68 mol 210 unq 1 iso 0 dist 5.57779 6.78579 8.67862 8.83523 5.88175 13.4242 numMergedOcc 0
69 mol 210 unq 1 iso 1 dist 6.78579 5.57779 8.67862 8.83523 13.4242 5.88175 numMergedOcc 0
70 mol 210 unq 1 iso 0 dist 7.05649 6.78579 5.72053 8.83523 9.89707 13.4242 numMergedOcc 0
71 mol 210 unq 1 iso 1 dist 6.78579 7.05649 5.72053 8.83523 13.4242 9.89707 numMergedOcc 0
72 mol 230 unq 0 iso 0 dist 8.34416 6.34832 5.10781 6.31092 9.70239 6.2222 numMergedOcc 0
73 mol 230 unq 0 iso 1 dist 6.34832 8.34416 5.10781 6.31092 6.2222 9.70239 numMergedOcc 0
74 mol 237 unq 0 iso 0 dist 6.07878 7.80422 5.62416 8.96803 4.50383 9.41259 numMergedOcc 0
75 mol 237 unq 0 iso 1 dist 7.80422 6.07878 5.62416 8.96803 9.41259 4.50383 numMergedOcc 0
76 mol 237 unq 1 iso 0 dist 6.07878 7.80422 5.62416 7.95072 11.9967 9.68512 numMergedOcc 0
77 mol 237 unq 1 iso 1 dist 7.80422 6.07878 5.62416 7.95072 9.68512 11.9967 numMergedOcc 0
78 mol 237 unq 2 iso 0 dist 6.07878 5.06628 8.65228 8.96803 4.50383 12.5736 numMergedOcc 0
79 mol 237 unq 2 iso 1 dist 5.06628 6.07878 8.65228 8.96803 12.5736 4.50383 numMergedOcc 0
80 mol 237 unq 3 iso 0 dist 6.07878 5.06628 8.65228 7.95072 11.9967 3.68966 numMergedOcc 0
81 mol 237 unq 3 iso 1 dist 5.06628 6.07878 8.65228 7.95072 3.68966 11.9967 numMergedOcc 0
82 mol 237 unq 2 iso 0 dist 7.80422 5.06628 6.60537 8.96803 9.41259 12.5736 numMergedOcc 0
83 mol 237 unq 2 iso 1 dist 5.06628 7.80422 6.60537 8.96803 12.5736 9.41259 numMergedOcc 0
84 mol 237 unq 3 iso 0 dist 7.80422 5.06628 6.60537 7.95072 9.68512 3.68966 numMergedOcc 0
85 mol 237 unq 3 iso 1 dist 5.06628 7.80422 6.60537 7.95072 3.68966 9.68512 numMergedOcc 0
86 mol 282 unq 0 iso 0 dist 8.53065 8.67489 12.6015 9.9322 9.21292 17.93 numMergedOcc 0
87 mol 282 unq 0 iso 1 dist 8.67489 8.53065 12.6015 9.9322 17.93 9.21292 numMergedOcc 0
